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Substance Name: Tocol
RN: 119-98-2
UNII: S2XEE7OB8X
InChIKey: DFUSDJMZWQVQSF-UHFFFAOYSA-N

Note

  • Synthetic with antiproliferative and proapoptotic effects.

Molecular Formula

  • C26-H44-O2

Molecular Weight

  • 388.6316
 
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Names and Synonyms

Name of Substance

  • Tocol

Synonyms

  • 2-Methyl-2-phytyl-6-chromanol
  • 2-Methyl-2-phytyl-6-hydroxychroman
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-
  • 6-Hydroxy-2-methyl-2-phytylchroman
  • Desmethyltocopherol
  • Tocol
  • Tocol [MI]
  • UNII-S2XEE7OB8X

Registry Numbers

CAS Registry Number

  • 119-98-2

FDA UNII

  • S2XEE7OB8X

System Generated Number

  • 0000119982

Structure Descriptors

InChI

1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3

InChIKey

DFUSDJMZWQVQSF-UHFFFAOYSA-N

Smiles

CC(C)CCCC(C)CCCC(C)CCCC1(CCc2cc(ccc2O1)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 9.270 (none)   EST
Atmospheric OH Rate Constant 6.63E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.